1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol

C16H18ClNOS — CID 62624190

IUPAC1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol
SMILESOC(CCN1CCc2sccc2C1)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClNOS/c17-14-3-1-2-12(10-14)15(19)4-7-18-8-5-16-13(11-18)6-9-20-16/h1-3,6,9-10,15,19H,4-5,7-8,11H2
InChIKeyGFWXWFOKSXAPBF-UHFFFAOYSA-N
MW307.85 g/mol
LogP3.88
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol

1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol (PubChem CID 62624190) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol
PubChem CID62624190
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol
SMILESOC(CCN1CCc2sccc2C1)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClNOS/c17-14-3-1-2-12(10-14)15(19)4-7-18-8-5-16-13(11-18)6-9-20-16/h1-3,6,9-10,15,19H,4-5,7-8,11H2
InChIKeyGFWXWFOKSXAPBF-UHFFFAOYSA-N
XLogP3.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
CID 176645091
(1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol
CID 39389983
1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 62941193
1-(4-chloro-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-ol
CID 82074589
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
CID 81213880
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)hexan-2-amine
CID 82853174
1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine
CID 82775888
1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol
CID 82685637
5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylpropanoic acid
CID 63069623
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-chlorophenyl)propan-1-ol
CID 102728352
1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967577

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol (CID 62624190) is 1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol is OC(CCN1CCc2sccc2C1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol?
The InChIKey is GFWXWFOKSXAPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c17-14-3-1-2-12(10-14)15(19)4-7-18-8-5-16-13(11-18)6-9-20-16/h1-3,6,9-10,15,19H,4-5,7-8,11H2.
What are the key properties of 1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol?
1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol has a molecular weight of 307.85 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-ol is sourced from PubChem (CID 62624190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).